SCHEMBL2291848

SCHEMBL2291848

Cc1cccc(C)c1OCc1cc(C(C)(C)C)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
KDM4E B2RXH2 1/20 0.36
SOD1 P00441 1/20 0.35
SCN2A Q99250 3/20 0.35
LMNA P02545 3/20 0.35
TSHR P16473 3/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
SCN4A P35499 4/20 0.35
SCN1A P35498 2/20 0.35
SCN5A Q14524 2/20 0.35
SCN9A Q15858 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2295515 0.83 MRGPRX4 (0.35) THRATHRBMRGPRX4KDM4ESOD1
SCHEMBL2295181 0.80 SCN2A (0.39) THRATHRBKDM4ESCN2ALMNA
SCHEMBL2290701 0.79 MRGPRX4 (0.38) MRGPRX4KDM4ESOD1SCN2ALMNA
SCHEMBL2294114 0.78 SCN8A (0.43) THRATHRBLMNAMAPTSMN1; SMN2
SCHEMBL2292517 0.77 THRA (0.37) THRATHRBLMNATSHRMAPT
SCHEMBL2293768 0.77 TP53 (0.39) THRATHRBKDM4ESCN2ALMNA
SCHEMBL2290430 0.77 THRA (0.40) THRATHRBSCN2ALMNATSHR
SCHEMBL2294687 0.76 SCN8A (0.46) THRATHRBMRGPRX4SCN5ASCN8A
SCHEMBL2290933 0.76 IDO1 (0.50) THRATHRBSCN2ALMNATSHR
SCHEMBL2290297 0.75 THRA (0.40) THRATHRBSCN2ALMNATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2149545-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-10-05 EP disclosed
US-7994367-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-09 US disclosed
US-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
EP-2149545-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, C9, TRPA1 THRA 3834/4885THRB 4314/4885MRGPRX4 282/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.